N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide

C15H12BrN3O2 — CID 82860621

IUPACN-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C15H12BrN3O2/c1-21-11-7-9(16)6-10(8-11)17-15(20)14-12-4-2-3-5-13(12)18-19-14/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyYJUPMNJBKOOJKD-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.59
Rot. Bonds3

About N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide

N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide (PubChem CID 82860621) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide
PubChem CID82860621
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C15H12BrN3O2/c1-21-11-7-9(16)6-10(8-11)17-15(20)14-12-4-2-3-5-13(12)18-19-14/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyYJUPMNJBKOOJKD-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-bromo-5-methoxyphenyl)benzamide
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N-methoxy-1H-indazole-3-carboxamide
CID 60722689
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CID 83086847
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
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CID 30694461

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide (CID 82860621) is N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide is COc1cc(Br)cc(NC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide?
The InChIKey is YJUPMNJBKOOJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-21-11-7-9(16)6-10(8-11)17-15(20)14-12-4-2-3-5-13(12)18-19-14/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide?
N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 82860621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).